Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
3A2
3A2
表記:1-{3-[(R)-{(1R)-1-[(glycyl-L-prolyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]propanoyl}-L-prolyl-D-norleucine
組成式:C29 H44 N5 O8 P
SMILES:O=C(NC(Cc1ccccc1)P(=O)(O)CCC(=O)N2C(C(=O)NC(C(=O)O)CCCC)CCC2)C3N(C(=O)CN)CCC3
InChi:InChI=1S/C29H44N5O8P/c1-2-3-11-21(29(39)40)31-27(37)22-12-7-15-33(22)25(35)14-17-43(41,42)24(18-20-9-5-4-6-10-20)32-28(38)23-13-8-16-34(23)26(36)19-30/h4-6,9-10,21-24H,2-3,7-8,11-19,30H2,1H3,(H,31,37)(H,32,38)(H,39,40)(H,41,42)/t21-,22+,23+,24-/m1/s1
定義日:2010-02-05
最終更新日:2011-06-04
識別子（ID）:1-{3-[(R)-{(1R)-1-[(glycyl-L-prolyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]propanoyl}-L-prolyl-D-norleucine
3FT
3FT
表記:2-({[3-FLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID
組成式:C20 H15 F4 N O4
SMILES:O=C(C1=C(C(=O)O)CCC1)Nc3ccc(c2cccc(OC(F)(F)F)c2)cc3F
InChi:InChI=1S/C20H15F4NO4/c21-16-10-12(11-3-1-4-13(9-11)29-20(22,23)24)7-8-17(16)25-18(26)14-5-2-6-15(14)19(27)28/h1,3-4,7-10H,2,5-6H2,(H,25,26)(H,27,28)
定義日:2005-07-27
最終更新日:2011-06-04
識別子（ID）:2-{[3-fluoro-3'-(trifluoromethoxy)biphenyl-4-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
BCR
BCR
表記:BETA-CAROTENE
組成式:C40 H56
SMILES:C(/C1=C(CCCC1(C)C)C)=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2=C(C)CCCC2(C)C)C)C)C)C
InChi:InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
定義日:2001-06-26
最終更新日:2011-06-04
識別子（ID）:beta,beta-carotene
TC1
TC1
表記:3-(5-PHOSPHO-2-DEOXY-BETA-D-RIBOFURANOSYL)-2-OXO-1,3-DIAZA-PHENOTHIAZINE
組成式:C15 H16 N3 O7 P S
SMILES:O=P(O)(O)OCC4OC(N2C(=O)N=C1Nc3c(SC1=C2)cccc3)CC4O
InChi:InChI=1S/C15H16N3O7PS/c19-9-5-13(25-10(9)7-24-26(21,22)23)18-6-12-14(17-15(18)20)16-8-3-1-2-4-11(8)27-12/h1-4,6,9-10,13,19H,5,7H2,(H,16,17,20)(H2,21,22,23)/t9-,10+,13+/m0/s1
定義日:2004-07-18
最終更新日:2011-06-04
識別子（ID）:3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3H-pyrimido[5,4-b][1,4]benzothiazin-2(10H)-one
TFP
TFP
表記:10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
組成式:C21 H24 F3 N3 S
SMILES:FC(F)(F)c2cc1N(c3c(Sc1cc2)cccc3)CCCN4CCN(C)CC4
InChi:InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazine
TOL
TOL
表記:TOLRESTAT
組成式:C16 H14 F3 N O3 S
SMILES:O=C(O)CN(C(=S)c2c1ccc(OC)c(c1ccc2)C(F)(F)F)C
InChi:InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonothioyl}-N-methylglycine
SRA
SRA
表記:ADENOSINE -5'-THIO-MONOPHOSPHATE
組成式:C10 H14 N5 O6 P S
SMILES:S=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C10H14N5O6PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(21-10)1-20-22(18,19)23/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,23)/t4-,6-,7-,10-/m1/s1
定義日:1999-09-15
最終更新日:2011-06-04
識別子（ID）:5'-O-thiophosphonoadenosine
STP
STP
表記:2'-DEOXYADENOSINE 5'-O-(1-THIOTRIPHOSPHATE)
組成式:C10 H16 N5 O11 P3 S
SMILES:O=P(O)(O)OP(=O)(O)OP(=S)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
InChi:InChI=1S/C10H16N5O11P3S/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(24-7)2-23-29(22,30)26-28(20,21)25-27(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,30)(H2,11,12,13)(H2,17,18,19)/t5?,6?,7?,29-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:9-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphorothioyl]pentofuranosyl}-9H-purin-6-amine
C2S
C2S
表記:CYTIDINE-5'-DITHIOPHOSPHORATE
組成式:C9 H14 N3 O5 P S2
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=S)(O)S
InChi:InChI=1S/C9H14N3O5PS2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(17-8)4-16-18(15,19)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,19,20)/t5-,6+,8+/m0/s1
定義日:2001-11-02
最終更新日:2011-06-04
識別子（ID）:2'-deoxy-5'-O-[(dithiophosphono)]cytidine
TSE
TSE
表記:THIOPHOSPHONOACETIC ACID
組成式:C2 H5 O4 P S
SMILES:O=C(O)CP(=S)(O)O
InChi:InChI=1S/C2H5O4PS/c3-2(4)1-7(5,6)8/h1H2,(H,3,4)(H2,5,6,8)
定義日:2005-01-14
最終更新日:2011-06-04
識別子（ID）:thiophosphonoacetic acid
U37
U37
表記:URIDINE 5'-MONOTHIOPHOSPHATE
組成式:C9 H13 N2 O8 P S
SMILES:O=P(O)(S)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
InChi:InChI=1S/C9H13N2O8PS/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(19-8)3-18-20(16,17)21/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,21)/t4-,6-,7-,8-/m1/s1
定義日:1998-01-07
最終更新日:2011-06-04
識別子（ID）:5'-O-thiophosphonouridine
MTA
MTA
表記:5'-DEOXY-5'-METHYLTHIOADENOSINE
組成式:C11 H15 N5 O3 S
SMILES:n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSC)N
InChi:InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:5'-S-methyl-5'-thioadenosine
MTC
MTC
表記:[1,8-DIHYDROXY-11-OXO-13-(2-METHYLTRITHIO-ETHYLIDENE)-BICYCLO[7.3.1]TRIDECA-4,9-DIENE-2,6-DIYN-10-YL]-CARBAMIC ACID METHYL ESTER
組成式:C18 H17 N O4 S3
SMILES:O=C(OC)NC2=C1C(=C/CSSSC)C(C#CC=CC#CC1)(O)CC2=O
InChi:InChI=1S/C18H17NO4S3/c1-23-17(21)19-16-13-8-6-4-3-5-7-10-18(22,12-15(16)20)14(13)9-11-25-26-24-2/h3,5,9,22H,8,11-12H2,1-2H3,(H,19,21)/b5-3-,14-9+/t18-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:methyl {(1R,4Z,13E)-1-hydroxy-13-[2-(methyltrisulfanyl)ethylidene]-11-oxobicyclo[7.3.1]trideca-4,9-diene-2,6-diyn-10-yl}carbamate
CO2
CO2
表記:CARBON DIOXIDE
組成式:C O2
SMILES:O=C=O
InChi:InChI=1S/CO2/c2-1-3
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:dioxomethane
LYC
LYC
表記:LYCOPENE
組成式:C40 H56
SMILES:C(C=CC=C(CC/C=C(C)C)C)(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(C)CCC=C(/C)C)C)C)C)C
InChi:InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:psi,psi-carotene
CTC
CTC
表記:7-CHLOROTETRACYCLINE
組成式:C22 H23 Cl N2 O8
SMILES:Clc1c4c(c(O)cc1)C(=O)C3=C(O)C2(O)C(=O)C(=C(O)C(N(C)C)C2CC3C4(O)C)C(=O)N
InChi:InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
MAE
MAE
表記:MALEIC ACID
組成式:C4 H4 O4
SMILES:O=C(O)C=C/C(=O)O
InChi:InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(2Z)-but-2-enedioic acid
MBV
MBV
表記:MESOBILIVERDIN IV ALPHA
組成式:C33 H38 N4 O6
SMILES:CCC1=C(C)C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4CC)C)C(=C3C)CCC(O)=O)c(C)c2CCC(O)=O
InChi:InChI=1S/C33H38N4O6/c1-7-20-18(5)32(42)36-26(20)14-28-22(9-11-30(38)39)16(3)24(34-28)13-25-17(4)23(10-12-31(40)41)29(35-25)15-27-21(8-2)19(6)33(43)37-27/h13-15,34H,7-12H2,1-6H3,(H,36,42)(H,37,43)(H,38,39)(H,40,41)/b25-13-,26-14-,27-15-
定義日:2000-11-20
最終更新日:2011-06-04
識別子（ID）:3-[(5Z)-5-[[4-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-3-methyl-1H-pyrrol-2-yl]methylidene]-2-[(Z)-(3-ethyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-3-yl]propanoic acid
AF3
AF3
表記:ALUMINUM FLUORIDE
組成式:Al F3
SMILES:F[Al](F)F
InChi:InChI=1S/Al.3FH/h
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:aluminum trifluoride
AMT
AMT
表記:2-AMINOTHIAZOLE
組成式:C3 H4 N2 S
SMILES:n1ccsc1N
InChi:InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:1,3-thiazol-2-amine
AMW
AMW
表記:ADENOSINE MONOTUNGSTATE
組成式:C10 H14 N5 O7 W
SMILES:O=[W](O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C10H12N5O4.2H2O.O.W/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(adenosinato-kappaO~5'~)(dihydroxy)oxotungsten
UPS
UPS
表記:2'-deoxy-5'-O-thiophosphonouridine
組成式:C9 H13 N2 O7 P S
SMILES:O=C1NC(=O)N(C=C1)C2OC(C(O)C2)COP(=S)(O)O
InChi:InChI=1S/C9H13N2O7PS/c12-5-3-8(11-2-1-7(13)10-9(11)14)18-6(5)4-17-19(15,16)20/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,20)/t5-,6+,8+/m0/s1
定義日:2009-02-10
最終更新日:2011-06-04
識別子（ID）:2'-deoxy-5'-O-thiophosphonouridine
EAA
EAA
表記:ETHACRYNIC ACID
組成式:C13 H12 Cl2 O4
SMILES:Clc1c(C(=O)C(=C)CC)ccc(OCC(=O)O)c1Cl
InChi:InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid
AS
AS
表記:2-DEOXY-ADENOSINE -5'-THIO-MONOPHOSPHATE
組成式:C10 H14 N5 O5 P S
SMILES:S=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
InChi:InChI=1S/C10H14N5O5PS/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(20-7)2-19-21(17,18)22/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,22)/t5-,6+,7+/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:2'-deoxy-5'-O-thiophosphonoadenosine
ATC
ATC
表記:9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEOXY-6-DEMETHYL-TETRACYCLINE
組成式:C25 H30 N4 O8
SMILES:O=C(Nc3c(O)c2C(=O)C1=C(O)C4(O)C(=O)C(C(=O)N)=C(O)C(N(C)C)C4CC1Cc2cc3)CN(C)C
InChi:InChI=1S/C25H30N4O8/c1-28(2)9-14(30)27-13-6-5-10-7-11-8-12-18(29(3)4)21(33)17(24(26)36)23(35)25(12,37)22(34)16(11)20(32)15(10)19(13)31/h5-6,11-12,18,31,33-34,37H,7-9H2,1-4H3,(H2,26,36)(H,27,30)/t11-,12-,18-,25-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(4S,4aS,5aR,12aS)-4-(dimethylamino)-9-[(N,N-dimethylglycyl)amino]-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

225399

件を2024-09-25に公開中

PDB statisticsPDBj update infoContact PDBjnumon